553077
4-Pentenenitrile
97%
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About This Item
Linear Formula:
CH2=CHCH2CH2CN
CAS Number:
Molecular Weight:
81.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
209-762-0
MDL number:
Product Name
4-Pentenenitrile, 97%
InChI key
CFEYBLWMNFZOPB-UHFFFAOYSA-N
InChI
1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2
SMILES string
C=CCCC#N
assay
97%
refractive index
n20/D 1.42 (lit.)
bp
140 °C (lit.)
density
0.814 g/mL at 25 °C (lit.)
Application
4-Pentenenitrile may be used to synthesize 4-pentenylamine.
General description
4-Pentenenitrile (4-PN) is a terminal alkene nitrile. It is obtained from 3-pentenenitrile via cationic nickel hydride or cobalt catalyzed isomerization. 4-Pentenenitrile undergoes hydrocyanation in the presence of bidentate nickel complexes (catalysts) to yield 3-pentenenitrile. 4-PN undergoes gas-phase reaction with OH radicals and Cl atoms in the presence of synthetic air and various reference compounds.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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B Ozierenski et al.
Die Nahrung, 37(1), 5-14 (1993-01-01)
The effects of 5-vinyloxazolidine-2-thione (VOT), 1-cyano-3-butene (CYB) and various isothiocyanates on parameters of hepatic phase I and phase II biotransformation were investigated in male rats after oral treatment for 3 consecutive days. The compounds with the exception of CYB caused
Kinetic control in catalytic olefin isomerization. An explanation for the apparent contrathermodynamic isomerization of 3-pentenenitrile.
McKinney RJ.
Organometallics, 4(6), 1142-1143 (1985)
P Kloss et al.
Poultry science, 73(10), 1542-1551 (1994-10-01)
Glucosinolates and their breakdown products (nitriles) have long been implicated as toxic factors when feeding rapeseed (Brassica napus) meals and crambe (Crambe abyssinica) meals to poultry. Accordingly, various methods have been developed to remove these compounds from the meals to
Ligand Descriptor Analysis in Nickel-Catalysed Hydrocyanation: A Combined Experimental and Theoretical Study.
Burello E, et al.
Advanced Synthesis & Catalysis, 347(6), 803-810 (2005)
New methods for alkaloid synthesis: Generation of indole-2, 3-diquinomethanes as a route to indole alkaloids.
Gallagher T and Magnus P.
Tetrahedron, 37(23), 3889-3897 (1981)
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